EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H44O6 |
| Net Charge | 0 |
| Average Mass | 524.698 |
| Monoisotopic Mass | 524.31379 |
| SMILES | CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]2CC=C(C)C(=O)O2)[C@@]2(C)CCC3=C(CC[C@@H]4C(=CCC(=O)OC4(C)C)C3)[C@]12C |
| InChI | InChI=1S/C32H44O6/c1-18-8-12-26(37-29(18)35)19(2)25-17-27(36-20(3)33)32(7)24-11-10-23-21(9-13-28(34)38-30(23,4)5)16-22(24)14-15-31(25,32)6/h8-9,19,23,25-27H,10-17H2,1-7H3/t19-,23+,25+,26-,27+,31+,32+/m0/s1 |
| InChIKey | GUCLGNSFMGJGGD-LPVBNXFNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tomophagusspecies (ncbitaxon:2782489) | - | PubMed (30983350) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tomophagusin G (CHEBI:223526) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [(9R,13R,14R,16R,17R)-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),3-dien-14-yl] acetate |